PDB entry 6b88

View 6b88 on RCSB PDB site
Description: E. coli LepB in complex with GNE0775 ((4S,7S,10S)-10-((S)-4-amino-2-(2-(4-(tert-butyl)phenyl)-4-methylpyrimidine-5-carboxamido)-N-methylbutanamido)-16,26-bis(2-aminoethoxy)-N-(2-iminoethyl)-7-methyl-6,9-dioxo-5,8-diaza-1,2(1,3)-dibenzenacyclodecaphane-4-carboxamide)
Class: HYDROLASE/HYDROLASE inhibitor
Keywords: Signal peptidase, SBDD, antibiotic, HYDROLASE, HYDROLASE-HYDROLASE inhibitor complex
Deposited on 2017-10-05, released 2018-10-10
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-10-10, with a file datestamp of 2018-10-05.
Experiment type: XRAY
Resolution: 2.41 Å
R-factor: N/A
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Signal peptidase I
    Species: Escherichia coli (strain K12) [TaxId:83333]
    Gene: lepB, b2568, JW2552
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6b88a_
  • Chain 'B':
    Compound: Signal peptidase I
    Species: Escherichia coli (strain K12) [TaxId:83333]
    Gene: lepB, b2568, JW2552
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6b88b_
  • Heterogens: CZD, 1PE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6b88A (A:)
    rsfiyepfqipsgsmmptlligdfilvekfaygikdpiyqktlietghpkrgdivvfkyp
    edpkldyikravglpgdkvtydpvskeltiqpgcssgqacenalpvtysnvepsdfvqtf
    srrnggeatsgffevpknetkengirlserketlgdvthriltvpiaqdqvgmyyqqpgq
    qlatwivppgqyfmmgdnrdnsadsrywgfvpeanlvgrataiwmsfdkqegewptglrl
    sriggih
    

    Sequence, based on observed residues (ATOM records): (download)
    >6b88A (A:)
    rsfiyepfqipsgsmmptlligdfilvekfaygikdpiyqktlietghpkrgdivvfkyp
    edpkldyikravglpgdkvtydpvskeltiqpgcssgqacenalpvtysnvepsdfvqtf
    srrnggeatsgffevpknetkengirlserketlgdvthriltvpiaqdqvgmyyqqpgq
    qlatwivppgqyfmmgdnrdnsadsrywgfvpeanlvgrataiwmsfdglrlsriggih
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6b88B (B:)
    rsfiyepfqipsgsmmptlligdfilvekfaygikdpiyqktlietghpkrgdivvfkyp
    edpkldyikravglpgdkvtydpvskeltiqpgcssgqacenalpvtysnvepsdfvqtf
    srrnggeatsgffevpknetkengirlserketlgdvthriltvpiaqdqvgmyyqqpgq
    qlatwivppgqyfmmgdnrdnsadsrywgfvpeanlvgrataiwmsfdkqegewptglrl
    sriggih
    

    Sequence, based on observed residues (ATOM records): (download)
    >6b88B (B:)
    rsfiyepfqipsgsmmptlligdfilvekfaygikdpiyqktlietghpkrgdivvfkyp
    edpkldyikravglpgdkvtydpvskeltiqpgcssgqacenalpvtysnvepsdfvqtf
    srrnggeatsgffevpknetkengirlserketlgdvthriltvpiaqdqvgmyyqqpgq
    qlatwivppgqyfmmgdnrdnsadsrywgfvpeanlvgrataiwmsfdkglrlsriggih